PDB: 8861 resultsInfo pagesStatus searchChemie searchBIRD

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6FLE	Crystal structure of ERK2 in complex with an adenosine derivative Descriptor: DIMETHYL SULFOXIDE, Mitogen-activated protein kinase 1, SULFATE ION, ... Authors: Gelin, M, Labesse, G. Deposit date: 2018-01-25 Release date: 2019-02-06 Last modified: 2024-01-17 Method: X-RAY DIFFRACTION (1.48 Å) Cite: Crystal structure of ERK2 in complex with an adenosine derivative To be published
6G54	Crystal structure of ERK2 covalently bound to SM1-71 Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Mitogen-activated protein kinase 1, ... Authors: Chaikuad, A, Suman, R, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Gray, N.S, Knapp, S, Structural Genomics Consortium (SGC) Deposit date: 2018-03-29 Release date: 2019-02-27 Last modified: 2024-01-17 Method: X-RAY DIFFRACTION (2.05 Å) Cite: Leveraging Compound Promiscuity to Identify Targetable Cysteines within the Kinome. Cell Chem Biol, 26, 2019
6BYN	Crystal structure of WDR5-Mb(S4) monobody complex Descriptor: WD repeat-containing protein 5, WDR5-binding Monobody, Mb(S4) Authors: Gupta, A, Koide, S. Deposit date: 2017-12-21 Release date: 2018-07-04 Last modified: 2023-10-04 Method: X-RAY DIFFRACTION (2.69 Å) Cite: Facile target validation in an animal model with intracellularly expressed monobodies. Nat. Chem. Biol., 14, 2018
3UV5	Crystal Structure of the tandem bromodomains of human Transcription initiation factor TFIID subunit 1 (TAF1) Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Transcription initiation factor TFIID subunit 1 Authors: Filippakopoulos, P, Felletar, I, Picaud, S, Keates, T, Muniz, J, Gileadi, O, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) Deposit date: 2011-11-29 Release date: 2012-01-18 Last modified: 2023-09-13 Method: X-RAY DIFFRACTION (2.03 Å) Cite: Histone recognition and large-scale structural analysis of the human bromodomain family. Cell(Cambridge,Mass.), 149, 2012
6G9N	Fragment-based discovery of a highly potent, orally bioavailable inhibitor which modulates the phosphorylation and catalytic activity of ERK1/2 Descriptor: (2~{R})-2-[5-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-3-oxidanylidene-1~{H}-isoindol-2-yl]-~{N}-[(1~{S})-1-(3-methylphenyl)-2-oxidanyl-ethyl]propanamide, Mitogen-activated protein kinase 1, SULFATE ION Authors: O'Reilly, M. Deposit date: 2018-04-11 Release date: 2018-05-30 Last modified: 2018-06-27 Method: X-RAY DIFFRACTION (1.76 Å) Cite: Fragment-Based Discovery of a Potent, Orally Bioavailable Inhibitor That Modulates the Phosphorylation and Catalytic Activity of ERK1/2. J. Med. Chem., 61, 2018
4ESG	X-ray structure of WDR5-MLL1 Win motif peptide binary complex Descriptor: Histone-lysine N-methyltransferase MLL, WD repeat-containing protein 5 Authors: Dharmarajan, V, Lee, J.-H, Patel, A, Skalnik, D.G, Cosgrove, M.S. Deposit date: 2012-04-23 Release date: 2012-05-30 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (1.7 Å) Cite: Structural basis for WDR5 interaction (Win) motif recognition in human SET1 family histone methyltransferases. J.Biol.Chem., 287, 2012
8P94	Cryo-EM structure of cortactin stabilized Arp2/3-complex nucleated actin branches Descriptor: ADENOSINE-5'-DIPHOSPHATE, Actin, cytoplasmic 1, ... Authors: Liu, T, Moores, C.A. Deposit date: 2023-06-05 Release date: 2024-01-03 Last modified: 2024-05-29 Method: ELECTRON MICROSCOPY (3.3 Å) Cite: Cortactin stabilizes actin branches by bridging activated Arp2/3 to its nucleated actin filament. Nat.Struct.Mol.Biol., 31, 2024
2FIE	Structure of human liver FBPase complexed with potent benzoxazole allosteric inhibitors Descriptor: 2,5-DICHLORO-N-[5-METHOXY-7-(6-METHOXYPYRIDIN-3-YL)-1,3-BENZOXAZOL-2-YL]BENZENESULFONAMIDE, Fructose-1,6-bisphosphatase 1 Authors: Abad-Zapatero, C. Deposit date: 2005-12-29 Release date: 2006-02-21 Last modified: 2023-08-30 Method: X-RAY DIFFRACTION (2.81 Å) Cite: Benzoxazole benzenesulfonamides as allosteric inhibitors of fructose-1,6-bisphosphatase. Bioorg.Med.Chem.Lett., 16, 2006
6FXV	Crystal structure of ERK2 in complex with an adenosine derivative Descriptor: DIMETHYL SULFOXIDE, Mitogen-activated protein kinase 1, SULFATE ION, ... Authors: Gelin, M, Labesse, G. Deposit date: 2018-03-09 Release date: 2019-03-20 Last modified: 2024-01-17 Method: X-RAY DIFFRACTION (1.53 Å) Cite: None To be published
2FIX	Structure of human liver FBPase complexed with potent benzoxazole allosteric inhibitiors Descriptor: Fructose-1,6-bisphosphatase 1, N-[7-(3-AMINOPHENYL)-5-METHOXY-1,3-BENZOXAZOL-2-YL]-2,5-DICHLOROBENZENESULFONAMIDE Authors: Abad-Zapatero, C. Deposit date: 2005-12-30 Release date: 2006-02-21 Last modified: 2023-08-30 Method: X-RAY DIFFRACTION (3.5 Å) Cite: Benzoxazole benzenesulfonamides as allosteric inhibitors of fructose-1,6-bisphosphatase. Bioorg.Med.Chem.Lett., 16, 2006
6G91	Fragment-based discovery of a highly potent, orally bioavailable inhibitor which modulates the phosphorylation and catalytic activity of ERK1/2 Descriptor: 5-chloranyl-~{N}-(oxan-4-yl)pyrimidin-2-amine, Mitogen-activated protein kinase 1, SULFATE ION Authors: O'Reilly, M. Deposit date: 2018-04-10 Release date: 2018-05-30 Last modified: 2018-06-27 Method: X-RAY DIFFRACTION (1.8 Å) Cite: Fragment-Based Discovery of a Potent, Orally Bioavailable Inhibitor That Modulates the Phosphorylation and Catalytic Activity of ERK1/2. J. Med. Chem., 61, 2018
6G9K	Fragment-based discovery of a highly potent, orally bioavailable inhibitor which modulates the phosphorylation and catalytic activity of ERK1/2 Descriptor: 2-[5-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-3-oxidanylidene-1~{H}-isoindol-2-yl]-~{N}-[(1~{S})-2-oxidanyl-1-phenyl-ethyl]ethanamide, Mitogen-activated protein kinase 1, SULFATE ION Authors: O'Reilly, M. Deposit date: 2018-04-11 Release date: 2018-05-30 Last modified: 2018-06-27 Method: X-RAY DIFFRACTION (1.94 Å) Cite: Fragment-Based Discovery of a Potent, Orally Bioavailable Inhibitor That Modulates the Phosphorylation and Catalytic Activity of ERK1/2. J. Med. Chem., 61, 2018
2H13	Crystal structure of WDR5/histone H3 complex Descriptor: WD-repeat protein 5, histone H3 lys-4 dimethylated Authors: Couture, J.F, Collazo, E, Trievel, R.C. Deposit date: 2006-05-15 Release date: 2006-07-11 Last modified: 2018-02-07 Method: X-RAY DIFFRACTION (1.58 Å) Cite: Molecular recognition of histone H3 by the WD40 protein WDR5. Nat.Struct.Mol.Biol., 13, 2006
6E5Z	Crystal structure of human DJ-1 with a natural modification on Cys-106 Descriptor: CHLORIDE ION, Protein/nucleic acid deglycase DJ-1 Authors: Shumilin, I.A, Shumilina, S.V, Minor, W. Deposit date: 2018-07-23 Release date: 2018-08-01 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (1.35 Å) Cite: A transient post-translational modification of active site cysteine alters binding properties of the parkinsonism protein DJ-1. Biochem. Biophys. Res. Commun., 504, 2018
6CBX	Crystal structure of human SET and MYND Domain Containing protein 2 with MTF1497 Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, N-lysine methyltransferase SMYD2, ... Authors: ZENG, H, DONG, A, Hutchinson, A, Seitova, A, TATLOCK, J, KUMPF, R, OWEN, A, TAYLOR, A, Casimiro-Garcia, A, Bountra, C, Arrowsmith, C.H, Edwards, A.M, BROWN, P.J, WU, H, Structural Genomics Consortium (SGC) Deposit date: 2018-02-05 Release date: 2018-03-14 Last modified: 2024-03-13 Method: X-RAY DIFFRACTION (1.94 Å) Cite: Crystal structure of human SET and MYND Domain Containing protein 2 with MTF1497 to be published
4POK	Crystal structures of thioredoxin with mesna at 2.5A resolution Descriptor: 1-THIOETHANESULFONIC ACID, Thioredoxin Authors: Sridhar, V, Chie-Leon, B, Badger, J, Nienaber, V.L, Hausheer, F.H. Deposit date: 2014-02-25 Release date: 2014-10-29 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (2.52 Å) Cite: BNP7787 Forms Novel Covalent Adducts on Human Thioredoxin and Modulates Thioredoxin Activity J Pharmacol Clin Toxicol, 2, 2014
4POM	Crystal structures of thioredoxin with mesna at 1.85A resolution Descriptor: 1-THIOETHANESULFONIC ACID, Thioredoxin Authors: Sridhar, V, Chie-Leon, B, Badger, J, Nienaber, V.L, Hausheer, F.H. Deposit date: 2014-02-26 Release date: 2014-10-29 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (1.85 Å) Cite: BNP7787 Forms Novel Covalent Adducts on Human Thioredoxin and Modulates Thioredoxin Activity J Pharmacol Clin Toxicol, 2, 2014
6GE0	Fragment-based discovery of a highly potent, orally bioavailable inhibitor which modulates the phosphorylation and catalytic activity of ERK1/2 Descriptor: 2-[5-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-3-oxidanylidene-1~{H}-isoindol-2-yl]-~{N}-[(1~{R})-1-(3-methoxyphenyl)ethyl]ethanamide, DIMETHYL SULFOXIDE, Mitogen-activated protein kinase 1, ... Authors: O'Reilly, M. Deposit date: 2018-04-25 Release date: 2018-05-30 Last modified: 2018-06-27 Method: X-RAY DIFFRACTION (1.82 Å) Cite: Fragment-Based Discovery of a Potent, Orally Bioavailable Inhibitor That Modulates the Phosphorylation and Catalytic Activity of ERK1/2. J. Med. Chem., 61, 2018
4HFX	Crystal structure of a transcription elongation factor B polypeptide 3 from Homo sapiens, Northeast Structural Genomics consortium target id HR4748B. Descriptor: SULFATE ION, Transcription elongation factor B polypeptide 3 Authors: Seetharaman, J, Su, M, Ciccosanti, C, Sahdev, S, Acton, T.B, Xiao, R, Everett, J.K, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) Deposit date: 2012-10-05 Release date: 2012-12-12 Last modified: 2018-01-24 Method: X-RAY DIFFRACTION (2.54 Å) Cite: Crystal structure of a transcription elongation factor B polypeptide 3 from Homo sapiens, Northeast Structural Genomics consortium target id HR4748B. (CASP Target) TO BE PUBLISHED
6GJB	Erk2 signalling protein Descriptor: Mitogen-activated protein kinase 1, SULFATE ION, [(1~{R},4~{Z})-cyclooct-4-en-1-yl] ~{N}-[4-[4-[[4-[1-[(1~{S})-1-(4-chloranyl-3-fluoranyl-phenyl)-2-oxidanyl-ethyl]-2-oxidanylidene-pyridin-4-yl]pyrimidin-2-yl]amino]pyridin-2-yl]but-3-ynyl]carbamate Authors: O'Reilly, M. Deposit date: 2018-05-16 Release date: 2019-01-02 Method: X-RAY DIFFRACTION (1.82 Å) Cite: Quantitation of ERK1/2 inhibitor cellular target occupancies with a reversible slow off-rate probe. Chem Sci, 9, 2018
2GNQ	Structure of wdr5 Descriptor: CHLORIDE ION, WD-repeat protein 5 Authors: Min, J, Schuetz, A, Allali-Hassani, A, Loppnau, P, Vedadi, M, Weigelt, J, Sundstrom, M, Edwards, A.M, Arrowsmith, C.H, Bochkarev, A, Plotnikov, A.N, Structural Genomics Consortium (SGC) Deposit date: 2006-04-10 Release date: 2006-06-06 Last modified: 2023-08-30 Method: X-RAY DIFFRACTION (1.8 Å) Cite: Structural basis for molecular recognition and presentation of histone H3 By WDR5. Embo J., 25, 2006
7CD5	mAPE1-blunt-ended dsDNA product complex Descriptor: DNA(5'-D(*CP*GP*TP*AP*AP*TP*AP*CP*G)-3'), DNA-(apurinic or apyrimidinic site) endonuclease Authors: Liu, T.C, Hsiao, Y.Y. Deposit date: 2020-06-18 Release date: 2021-01-13 Last modified: 2023-11-29 Method: X-RAY DIFFRACTION (2.7 Å) Cite: APE1 distinguishes DNA substrates in exonucleolytic cleavage by induced space-filling. Nat Commun, 12, 2021
4ERY	X-ray structure of WDR5-MLL3 Win motif peptide binary complex Descriptor: Histone-lysine N-methyltransferase MLL3, WD repeat-containing protein 5 Authors: Dharmarajan, V, Lee, J.-H, Patel, A, Skalnik, D.G, Cosgrove, M.S. Deposit date: 2012-04-21 Release date: 2012-05-16 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (1.3 Å) Cite: Structural basis for WDR5 interaction (Win) motif recognition in human SET1 family histone methyltransferases. J.Biol.Chem., 287, 2012
5E8I	Crystal structure of the DNA binding domain of human transcription factor FLI1 in complex with a 10-mer DNA ACCGGAAGTG Descriptor: CALCIUM ION, DNA (5'-D(*AP*CP*CP*GP*GP*AP*AP*GP*TP*G)-3'), DNA (5'-D(*CP*AP*CP*TP*TP*CP*CP*GP*GP*T)-3'), ... Authors: Hou, C, Tsodikov, O.V. Deposit date: 2015-10-14 Release date: 2015-12-09 Last modified: 2023-09-27 Method: X-RAY DIFFRACTION (3.45 Å) Cite: Structural Basis for Dimerization and DNA Binding of Transcription Factor FLI1. Biochemistry, 54, 2015
3R7W	Crystal Structure of Gtr1p-Gtr2p complex Descriptor: GTP-binding protein GTR1, GTP-binding protein GTR2, MAGNESIUM ION, ... Authors: Gong, R, Li, L, Liu, Y, Wang, P, Yang, H, Wang, L, Cheng, J, Guan, K.L, Xu, Y. Deposit date: 2011-03-23 Release date: 2011-08-24 Last modified: 2013-06-19 Method: X-RAY DIFFRACTION (2.773 Å) Cite: Crystal structure of the Gtr1p-Gtr2p complex reveals new insights into the amino acid-induced TORC1 activation Genes Dev., 25, 2011

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